Plot_VTK.cc File Reference

#include "Plot_VTK.h"
#include <madness/mra/mra.h>
#include <cstdint>
#include <string>
#include <vector>
#include "../chem/molecule.h"

Include dependency graph for Plot_VTK.cc:

Namespaces
	madness
	File holds all helper structures necessary for the CC_Operator and CC2 class.

Functions
void	madness::do_response_density_vtk_plots (World &world, int npt_plot, double L, const Molecule &molecule, const real_function_3d &ground_density, const vector_real_function_3d &response_density)
void	madness::do_response_orbital_vtk_plots (World &world, int npt_plot, double L, const Molecule &molecule, const vector_real_function_3d &ground_orbs, const response_matrix &responseMatrix)
void	madness::do_vtk_plots (World &world, int npt_plot, double L, int lowest_orbital, int highest_orbital, const Molecule &molecule, std::vector< real_function_3d > densities, const std::string &name)
void	madness::do_vtk_plots (World &world, int npt_plot, double L, Molecule molecule, real_function_3d &rho_0, std::vector< real_function_3d > &rho_omega, std::vector< real_function_3d > &ground_orbitals, X_space &Chi)
void	madness::write_molecules_to_file (const Molecule &molecule, const std::string &geo_file)